4-(Trifluoromethyl)pyridine-2-thiol

Base Information

• Chemical Name: 4-(Trifluoromethyl)pyridine-2-thiol
• CAS No.: 121307-79-7
• Molecular Formula: C₆H₄F₃NS
• Molecular Weight: 179.166
• Hs Code.: 2933399990
• Mol file: 121307-79-7.mol

Synonyms:4-(Trifluoromethyl)pyridine-2-thiol;2(1H)-PYRIDINETHIONE, 4-(TRIFLUOROMETHYL)-;2-Mercapto-4-(trifluoromethyl)pyridine;2-Mercapto-4-(trifluoromethyl)pryidine;2-Mercapto-4-(trifluoromethyl)pyridine, 2-Sulphanyl-alpha,alpha,alpha-trifluoro-4-picoline, 4-(Trifluoromethyl)pyridine-2-thiol;2-Sulphanyl-4-(trifluoromethyl)pyridine

Chemical Property of 4-(Trifluoromethyl)pyridine-2-thiol

Chemical Property:

• Vapor Pressure: 0.232mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 214.1 °C at 760 mmHg
• PKA: 8.56±0.40(Predicted)
• Flash Point: 83.3 °C
• PSA: 51.69000
• Density: 1.391 g/cm³
• LogP: 2.38910

Purity/Quality:

98% ^*data from raw suppliers

4-(Trifluoromethyl)pyridine-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(Trifluoromethyl)pyridine-2-thiol

There total 3 articles about 4-(Trifluoromethyl)pyridine-2-thiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 67.0%

4-(trifluoromethyl)-2-pyridone (50650-59-4) → 4-trifluoromethylpyridine-2(1H)-thione (121307-79-7)

Guidance literature:

With Lawessons reagent; In toluene;

DOI:10.1016/S0022-1139(98)00308-X

Reference yield:

2-chloro-4-trifluoromethyl pyridine (81565-18-6) → 4-trifluoromethylpyridine-2(1H)-thione (121307-79-7)

Guidance literature:

With Methyl 3-mercaptopropionate; sodium methylate; Yield given. Multistep reaction; 1) DMF, 1 to 1.5 h heating on a steam bath, 2) MeOH, 1 h, reflux;

DOI:10.1002/prac.19923340204

Reference yield:

2-amino-4-(trifluoromethyl)pyridine (106447-97-6) → 4-trifluoromethylpyridine-2(1H)-thione (121307-79-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / H₂SO₄, NaNO₂ / H₂O / 1 h / 70 °C

2: 67 percent / Lawesson's reagent / toluene

With Lawessons reagent; sulfuric acid; sodium nitrite; In water; toluene;

DOI:10.1016/S0022-1139(98)00308-X

upstream raw materials:

2-chloro-4-trifluoromethyl pyridine

4-(trifluoromethyl)-2-pyridone

2-amino-4-(trifluoromethyl)pyridine

Refernces

• 1、 Dunn, A. D.,Norrie, R.,L'Hostis, J.,Marjot, S.. "The Synthesis and Some Reactions of Novel Pyridine-2(1H)-thiones". . p. 119 - 125. Retrieved 2007/10/02.